4-[[6-(4-carbamimidoylphenyl)-3-pyrrolidin-1-yl-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[6-(4-carbamimidoylphenyl)-3-pyrrolidin-1-yl-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[6-(4-carbamimidoylphenyl)-3-pyrrolidin-1-yl-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[6-(4-carbamimidoylphenyl)-3-(1-pyrrolidinyl)-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[6-(4-carbamimidoylphenyl)-3-pyrrolidin-1-ylpyridazine-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[6-(4-amidinophenyl)-3-pyrrolidino-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid Formula: C23H28N6O3 MolecularWeight: 436.50682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(C=C2C(=O)NC3CCC(CC3)C(=O)O)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CCN(C1)C2=NN=C(C=C2C(=O)NC3CCC(CC3)C(=O)O)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C23H28N6O3/c24-20(25)15-5-3-14(4-6-15)19-13-18(21(28-27-19)29-11-1-2-12-29)22(30)26-17-9-7-16(8-10-17)23(31)32/h3-6,13,16-17H,1-2,7-12H2,(H3,24,25)(H,26,30)(H,31,32)